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Crystal structure of the disordered non-centrosymmetric compound Fe0.43mo2.56sbo9.5

Ali, Sk Imran ; Lidin, Sven LU and Johnsson, Mats (2019) In Crystals 9(1).
Abstract

Single crystals of Fe0.43Mo2.56SbO9.5 were obtained by hydrothermal techniques at 230◦C. The crystal structure was determined from single crystal X-ray diffraction data. The compound crystallizes in the non-centrosymmetric space group Pc with unit cell parameters a = 4.0003(2) Å, b = 7.3355(3) Å, c = 12.6985(6) Å, β = 90◦. The crystal structure comprises five crystallographically independent M atoms and one Sb3+ atom, M atoms are of two kinds of partially occupied sites Mo6+ and Fe3+. The building blocks consist of [SbO3O0.5O0.5E] octahedra (E = lone electron pair) and [(Mo/Fe)O6] octahedra. The M = (Mo,... (More)

Single crystals of Fe0.43Mo2.56SbO9.5 were obtained by hydrothermal techniques at 230◦C. The crystal structure was determined from single crystal X-ray diffraction data. The compound crystallizes in the non-centrosymmetric space group Pc with unit cell parameters a = 4.0003(2) Å, b = 7.3355(3) Å, c = 12.6985(6) Å, β = 90◦. The crystal structure comprises five crystallographically independent M atoms and one Sb3+ atom, M atoms are of two kinds of partially occupied sites Mo6+ and Fe3+. The building blocks consist of [SbO3O0.5O0.5E] octahedra (E = lone electron pair) and [(Mo/Fe)O6] octahedra. The M = (Mo, Fe) and O atoms are arranged in a distorted hexagonal 2D-net, not the Sb atoms. The distortion of the net and consequently the symmetry reduction results mainly from the location of the Sb atoms. Disorder manifests itself as a splitting of the metal sites and as a consequent shortening of the Mo–Fe distances. Six (Mo/Fe)O6 octahedra are connected to form a pseudohexagonal channel. The Sb3+ atom is displaced from the pseudo-six-fold axis.

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author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Disordered structure, Hydrothermal synthesis, Non-centrosymmetric (NCS) materials, X-ray diffraction
in
Crystals
volume
9
issue
1
article number
40
pages
8 pages
publisher
MDPI AG
external identifiers
  • scopus:85090513795
ISSN
2073-4352
DOI
10.3390/cryst9010040
language
English
LU publication?
yes
id
85ff70d7-4634-4fb8-9473-800209b3612f
date added to LUP
2020-10-20 15:26:40
date last changed
2023-11-20 13:58:42
@article{85ff70d7-4634-4fb8-9473-800209b3612f,
  abstract     = {{<p>Single crystals of Fe<sub>0.43</sub>Mo<sub>2.56</sub>SbO<sub>9.5</sub> were obtained by hydrothermal techniques at 230<sup>◦</sup>C. The crystal structure was determined from single crystal X-ray diffraction data. The compound crystallizes in the non-centrosymmetric space group Pc with unit cell parameters a = 4.0003(2) Å, b = 7.3355(3) Å, c = 12.6985(6) Å, β = 90<sup>◦</sup>. The crystal structure comprises five crystallographically independent M atoms and one Sb<sup>3+</sup> atom, M atoms are of two kinds of partially occupied sites Mo<sup>6+</sup> and Fe<sup>3+</sup>. The building blocks consist of [SbO<sub>3</sub>O<sub>0.5</sub>O<sub>0.5</sub>E] octahedra (E = lone electron pair) and [(Mo/Fe)O<sub>6</sub>] octahedra. The M = (Mo, Fe) and O atoms are arranged in a distorted hexagonal 2D-net, not the Sb atoms. The distortion of the net and consequently the symmetry reduction results mainly from the location of the Sb atoms. Disorder manifests itself as a splitting of the metal sites and as a consequent shortening of the Mo–Fe distances. Six (Mo/Fe)O<sub>6</sub> octahedra are connected to form a pseudohexagonal channel. The Sb<sup>3+</sup> atom is displaced from the pseudo-six-fold axis.</p>}},
  author       = {{Ali, Sk Imran and Lidin, Sven and Johnsson, Mats}},
  issn         = {{2073-4352}},
  keywords     = {{Disordered structure; Hydrothermal synthesis; Non-centrosymmetric (NCS) materials; X-ray diffraction}},
  language     = {{eng}},
  number       = {{1}},
  publisher    = {{MDPI AG}},
  series       = {{Crystals}},
  title        = {{Crystal structure of the disordered non-centrosymmetric compound Fe<sub>0.43</sub>mo<sub>2.56</sub>sbo<sub>9.5</sub>}},
  url          = {{http://dx.doi.org/10.3390/cryst9010040}},
  doi          = {{10.3390/cryst9010040}},
  volume       = {{9}},
  year         = {{2019}},
}